Basic information
- CAS
1035230-28-4- Standard SMILES
CC(C)Oc1cc2c(cc1[N+](=O)[O-])C(=O)N(C1CCNCC1)C2=O- InChIKey
QRUNXCMEDBLLAD-UHFFFAOYSA-N- Molecular formula
- C16H19N3O5
- Average molar mass
- 333.34 g/mol
- Monoisotopic mass
- 333.13247072
Names & identifiers
- Preferred name
- 5-Isopropoxy-6-nitro-2-piperidin-4-yl-isoindole-1,3-dione
- IUPAC
- 5-nitro-2-piperidin-4-yl-6-propan-2-yloxyisoindole-1,3-dione
Names & synonyms
SCHEMBL1545588QRUNXCMEDBLLAD-UHFFFAOYSA-NDTXSID2011526105-isopropoxy-6-nitro-2-piperidin-4-yl-isoindole-1,3-dione5-(1-Methylethoxy)-6-nitro-2-(4-piperidinyl)-1H-isoindole-1,3(2H)-dione5-Nitro-2-(piperidin-4-yl)-6-[(propan-2-yl)oxy]-1H-isoindole-1,3(2H)-dione1035230-28-4
Database identifiers
- CAS
1035230-28-4- PubChem CID
- 67071097
- DTXSID
DTXSID201152610
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 526
Related reactions
11 records
Compound notes
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